1,3-Diiodopropane(627-31-6) 1H NMR
Product Name1,3-Diiodopropane
CAS627-31-6
Molecular FormulaC3H6I2
Molecular Weight295.89
InChIInChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2
InChIKey AAAXMNYUNVCMCJ-UHFFFAOYSA-N
SmilesC(I)CCI
-
MassMS-IW-8665 1,3-diiodopropane C3H6I2 (Mass of molecular ion: 296)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.8 38.0 1.1 39.0 10.3 40.0 1.5 41.0 51.4 42.0 6.5 127.0 6.7 128.0 1.9 141.0 8.5 155.0 1.5 169.0 100.0 170.0 3.4 254.0 5.2 296.0 44.9 297.0 1.5
parameter in CDCl3
-
1H NMR 300 MHz C3 H6 I2 0.05 ml : 0.5 ml CDCl3 1,3-diiodopropane 
Parameter ppm Hz
D(A) 3.275 D(B) 2.266 J(A,B) 6.4
Hz ppm Int.988.96 3.297 457 982.58 3.275 1000 976.18 3.254 499 692.46 2.308 63 686.08 2.287 242 679.70 2.266 352 673.30 2.244 224 666.88 2.223 53
in CDCl3
liquid film
